MassBank Record: KO002864



 Etodolac; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002864
RECORD_TITLE: Etodolac; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID E034

CH$NAME: Etodolac CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H21NO3 CH$EXACT_MASS: 287.15214 CH$SMILES: CCC1=CC=CC2=C1NC3=C2CCOC3(CC)CC(=O)O CH$IUPAC: InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20) CH$LINK: KEGG C06991
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 288 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00dr-0890000000-e286df97fed2602fd759 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 72.100 34653.5 3 95.000 19802.0 2 104.200 64356.5 6 104.900 29703.0 3 107.200 39604.0 3 113.300 39604.0 3 118.200 39604.0 3 119.000 386139.0 33 120.900 14851.5 1 126.800 118812.0 10 131.900 64356.5 6 135.000 1559407.5 134 136.200 217822.0 19 138.100 306931.0 26 141.500 19802.0 2 145.400 14851.5 1 155.800 94059.5 8 156.900 133663.5 11 161.000 44554.5 4 170.000 74257.5 6 172.200 11653477.0 999 173.100 34653.5 3 182.200 29703.0 3 183.800 29703.0 3 191.200 44554.5 4 198.000 74257.5 6 199.700 19802.0 2 217.700 24752.5 2 221.000 9901.0 1 226.000 34653.5 3 228.200 133663.5 11 229.300 1242575.5 107 235.200 123762.5 11 247.300 306931.0 26 253.200 321782.5 28 253.800 19802.0 2 256.000 34653.5 3 270.600 475248.0 41 271.500 2831686.0 243 288.400 11316843.0 970 //